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1159977-25-9 | 2’-Deschloro-2’-hydroxy Dasatinib
CAS No: 1159977-25-9 Catalog No: AG000HEO MDL No:MFCD24386643
Product Description
Catalog Number:
AG000HEO
Chemical Name:
2’-Deschloro-2’-hydroxy Dasatinib
CAS Number:
1159977-25-9
Molecular Formula:
C22H27N7O3S
Molecular Weight:
469.5599
MDL Number:
MFCD24386643
IUPAC Name:
2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-hydroxy-6-methylphenyl)-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C22H27N7O3S/c1-14-4-3-5-16(31)20(14)27-21(32)17-13-23-22(33-17)26-18-12-19(25-15(2)24-18)29-8-6-28(7-9-29)10-11-30/h3-5,12-13,30-31H,6-11H2,1-2H3,(H,27,32)(H,23,24,25,26)
InChI Key:
QSYUTCLLUVARSF-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1O
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.19g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
469.564g/mol
Monoisotopic Mass:
469.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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